CAS RN: 120462-42-2
Lophanthoidin B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS120462-42-2
- Purity/Analytical Methods: >99.0%
120462-42-2 / 2-[(4bS,8aS,9S,10S)-10-acetyloxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate
2-(10-acetyloxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)propyl acetate | orb1297095 | HY-N3367
Basic Information
CAS
120462-42-2
Multi CAS
Yes
Molecular Formula
C24H32O8
Molecular Weight
448.500000
Exact Mass
448.209718
SMILES
CC(COC(=O)C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3[C@@H]([C@H]2OC(=O)C)O)(C)C)C)O
InChI
InChI=1S/C24H32O8/c1-11(10-31-12(2)25)14-17(27)15-16(19(29)18(14)28)24(6)9-7-8-23(4,5)22(24)20(30)21(15)32-13(3)26/h11,20-22,27,30H,7-10H2,1-6H3
InChIKey
FOQUQAGAAHKGMV-UHFFFAOYSA-N
Synonyms
2-(10-acetyloxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)propyl acetate
orb1297095
HY-N3367
VEA46242
AKOS040761993
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
113.28
TPSA
127.2
LogP / Solubility
WLOGP
2.58
MLOGP
2.3
XLogP3
2.1
Consensus LogP
2.33
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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